SCHEMBL4694319

SCHEMBL4694319

CCCCCc1cc(C)nn2c(-c3sc4ncccc4c3Cl)c(C)nc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.37
CRHR2 Q13324 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
PDE10A Q9Y233 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR8 Q9NR97 1/20 0.31
KAT2B Q92831 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4694546 0.85 CRHR1 (0.39) CRHR1CRHR2TLR8
SCHEMBL3973096 0.81 CRHR1 (0.55) CRHR1CRHR2PDE10APOLBKMT2A
SCHEMBL4694389 0.81 CYP2A6 (0.36) CRHR1NPC1PDE10ATLR8
SCHEMBL4690722 0.76 CRHR1 (0.39) CRHR1
SCHEMBL4690582 0.76 CRHR1 (0.53) CRHR1CRHR2ADORA3
SCHEMBL4787114 0.74 TLR8 (0.38) CRHR1CRHR2ADORA3TLR8
SCHEMBL3959632 0.71 CRHR1 (0.65) CRHR1CRHR2PDE10APOLBKMT2A
SCHEMBL4693619 0.71 CRHR1 (0.67) CRHR1CRHR2HPGDPDE10AADORA3
SCHEMBL4693477 0.71 CRHR1 (0.67) CRHR1CRHR2HPGDPDE10AADORA3
SCHEMBL4689862 0.70 CRHR1 (0.45) CRHR1HPGDPDE10AADORA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 WO disclosed